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ENAMINE-ZINC02625198

 MMsINC code: MMs01258228
Type: Neutral
Formula: C15H17NO4
SMILES:   o1nc(C)c(COC(=O)CCOc2ccccc2)c1C
InChI:   InChI=1/C15H17NO4/c1-11-14(12(2)20-16-11)10-19-15(17)8-9-18-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.8428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.304 g/mol  logS: -2.76638  SlogP: 3.07014  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0548579  Sterimol/B1: 2.07525  Sterimol/B2: 3.90842  Sterimol/B3: 3.93343
  Sterimol/B4: 7.16286  Sterimol/L: 17.3483 
 
 Surface and Volume Properties
  Accessible surface: 547.248  Positive charged surface: 321.57  Negative charged surface: 225.678  Volume: 267.25
  Hydrophobic surface: 475.619  Hydrophilic surface: 71.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.